3-Chloro-4-hydroxy-5-methoxybenzoic acid

Base Information

• Chemical Name: 3-Chloro-4-hydroxy-5-methoxybenzoic acid
• CAS No.: 62936-23-6
• Molecular Formula: C8H7ClO4
• Molecular Weight: 202.594
• Hs Code.: 2918990090
• European Community (EC) Number: 263-766-7
• NSC Number: 45930
• DSSTox Substance ID: DTXSID10978761
• Nikkaji Number: J267.390H
• Wikidata: Q70000038
• Mol file: 62936-23-6.mol

Synonyms:62936-23-6;3-CHLORO-4-HYDROXY-5-METHOXYBENZOIC ACID;5-CHLOROVANILLIC ACID;69845-52-9;Benzoic acid, 3-chloro-4-hydroxy-5-methoxy-;EINECS 263-766-7;5-chloro-4-hydroxy-3-methoxybenzoic acid;CHLORO-4-HYDROXY-3-METHOXYBENZOIC ACID;5-CHLOROVANILLICACID;NSC45930;5-chloro-vanillic acid;3-chloro-4-hydroxy-5-methoxy Benzoic acid;SCHEMBL985817;DTXSID10978761;5-Chlorovanillic acid, AldrichCPR;MFCD00016531;NSC 45930;NSC-45930;AKOS001144669;FS-4144;AC-28568;Benzoic acid,3-chloro-4-hydroxy-5-methoxy-;CS-0199190;FT-0620346;EN300-14822;A868309;Z104442658;5-Chlorovanilic acid;5-Chloro-4-hydroxy-3-methoxybenzoic acid

Chemical Property of 3-Chloro-4-hydroxy-5-methoxybenzoic acid

Chemical Property:

• Appearance/Colour: Lurid powder
• Vapor Pressure: 1.44E-05mmHg at 25°C
• Melting Point: 240-242 °C
• Refractive Index: 1.599
• Boiling Point: 352.3 °C at 760 mmHg
• Flash Point: 166.9 °C
• PSA: 66.76000
• Density: 1.485 g/cm³
• LogP: 1.75240
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 202.0032864
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-4-hydroxy-5-methoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC(=C1)C(=O)O)Cl)O

Technology Process of 3-Chloro-4-hydroxy-5-methoxybenzoic acid

There total 5 articles about 3-Chloro-4-hydroxy-5-methoxybenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

5-chlorovanillin (19463-48-0) → 3-chloro-4-hydroxy-5-methoxybenzoic acid (62936-23-6)

Guidance literature:

With sodium hydroxide; silver(l) oxide;

DOI:10.1021/jo01165a012

Reference yield:

4-acetoxy-3-chloro-5-methoxy-benzonitrile → 3-chloro-4-hydroxy-5-methoxybenzoic acid (62936-23-6)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01331a062

Reference yield:

3-methoxy-4-hydroxybenzoic acid (121-34-6) → 3-chloro-4-hydroxy-5-methoxybenzoic acid (62936-23-6)

Guidance literature:

With chloroform; chlorine;

upstream raw materials:

5-chlorovanillin

3-methoxy-4-hydroxybenzoic acid

Downstream raw materials:

4-benzyloxy-3-chloro-5-methoxybenzoic acid benzyl ester

3-chloro-4-hydroxy-5-methoxybenzoic acid methyl ester

methyl 3,4-dihydroxy-5-chlorobenzoate

methyl 3-chloro-4,5-bis(cyclopentyloxy)benzoate